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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'pettersen' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5|
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25|
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25|
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120503
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)
Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 0.877n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 0.882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 1.11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Rattus norvegicus)
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat SGLT2


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 6.98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 43.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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n/an/a 89.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 506n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 546n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 958n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50313368
PNG
((6S,7R,8R,9S)-6-(3-(4-methoxybenzyl)-4-methylpheny...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H26O6/c1-13-3-6-15(10-16(13)9-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(28-20)11-27-12-22/h3-8,10,18-21,23-25H,9,11-12H2,1-2H3/t18-,19-,20+,21+/m1/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in Wistar rat hepatocytes assessed as nuclear to cytosolic translocation of protein by immunofluorescence assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342884
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)-ph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50342886
PNG
((1S,2S,3S,4S,5S)-5-[4-Chloro-3-(4-methoxybenzyl)-p...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394684
PNG
(CHEMBL2165615)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
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n/an/an/an/a 188n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394685
PNG
(CHEMBL2165618)
Show SMILES OC(=O)c1cnc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)cn1 |r|
Show InChI InChI=1S/C17H18F3N5O3/c18-17(19,20)13-8-25(9-23-13)12(5-10-3-1-2-4-10)15(26)24-14-7-21-11(6-22-14)16(27)28/h6-10,12H,1-5H2,(H,27,28)(H,22,24,26)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394686
PNG
(CHEMBL2165617)
Show SMILES OC(=O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C17H20F3N5O3/c18-17(19,20)13-8-24(10-21-13)12(7-11-3-1-2-4-11)16(28)22-14-5-6-25(23-14)9-15(26)27/h5-6,8,10-12H,1-4,7,9H2,(H,26,27)(H,22,23,28)/t12-/m0/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394688
PNG
(CHEMBL2165626)
Show SMILES FC(F)(F)c1cn(cn1)[C@@H](CC1CCCC1)C(=O)Nc1ccc(cn1)-c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H19F3N8O/c19-18(20,21)14-9-29(10-23-14)13(7-11-3-1-2-4-11)17(30)24-15-6-5-12(8-22-15)16-25-27-28-26-16/h5-6,8-11,13H,1-4,7H2,(H,22,24,30)(H,25,26,27,28)/t13-/m0/s1
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n/an/an/an/a 284n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394689
PNG
(CHEMBL2165625)
Show SMILES OP(O)(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C17H20F3N4O4P/c18-17(19,20)14-9-24(10-22-14)13(7-11-3-1-2-4-11)16(25)23-15-6-5-12(8-21-15)29(26,27)28/h5-6,8-11,13H,1-4,7H2,(H,21,23,25)(H2,26,27,28)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394690
PNG
(CHEMBL2165624)
Show SMILES OS(=O)(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C17H19F3N4O4S/c18-17(19,20)14-9-24(10-22-14)13(7-11-3-1-2-4-11)16(25)23-15-6-5-12(8-21-15)29(26,27)28/h5-6,8-11,13H,1-4,7H2,(H,21,23,25)(H,26,27,28)/t13-/m0/s1
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n/an/an/an/a 2.49E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394691
PNG
(CHEMBL2165623)
Show SMILES OC(=O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C19H21F3N4O3/c20-19(21,22)15-10-26(11-24-15)14(7-12-3-1-2-4-12)18(29)25-16-6-5-13(9-23-16)8-17(27)28/h5-6,9-12,14H,1-4,7-8H2,(H,27,28)(H,23,25,29)/t14-/m0/s1
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n/an/an/an/a 565n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394692
PNG
(CHEMBL2165622)
Show SMILES OC(=O)c1ccnc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-8-12(17(27)28)5-6-22-15/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394682
PNG
(CHEMBL2165619)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
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n/an/an/an/a 114n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394684
PNG
(CHEMBL2165615)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
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n/an/an/an/a 900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 1.74E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50444410
PNG
(CHEMBL3091580)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 2.60E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444411
PNG
(CHEMBL3091585)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O6S/c26-20(24-18-5-4-15(11-22-18)21(27)28)17(10-14-6-8-31-9-7-14)25-12-19(23-13-25)32(29,30)16-2-1-3-16/h4-5,11-14,16-17H,1-3,6-10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444412
PNG
(CHEMBL3091584)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C20H24N4O6S/c25-19(23-17-4-1-14(10-21-17)20(26)27)16(9-13-5-7-30-8-6-13)24-11-18(22-12-24)31(28,29)15-2-3-15/h1,4,10-13,15-16H,2-3,5-9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444413
PNG
(CHEMBL3091583)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C22H28N4O5S/c27-21(25-19-10-9-16(12-23-19)22(28)29)18(11-15-5-2-1-3-6-15)26-13-20(24-14-26)32(30,31)17-7-4-8-17/h9-10,12-15,17-18H,1-8,11H2,(H,28,29)(H,23,25,27)/t18-/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444414
PNG
(CHEMBL3091582)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-6-15(11-22-18)21(27)28)17(10-14-4-2-1-3-5-14)25-12-19(23-13-25)31(29,30)16-7-8-16/h6,9,11-14,16-17H,1-5,7-8,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 113n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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n/an/an/an/a 201n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50444410
PNG
(CHEMBL3091580)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1
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n/an/an/an/a 137n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394687
PNG
(CHEMBL2165627)
Show SMILES OC(=O)C(=O)Nc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C19H20F3N5O4/c20-19(21,22)14-9-27(10-24-14)13(7-11-3-1-2-4-11)16(28)26-15-6-5-12(8-23-15)25-17(29)18(30)31/h5-6,8-11,13H,1-4,7H2,(H,25,29)(H,30,31)(H,23,26,28)/t13-/m0/s1
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n/an/an/an/a 456n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394683
PNG
(CHEMBL2165616)
Show SMILES CN(C)C(=O)c1cnc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-25-19(10-23-12)27-21(29)14-6-17-15(5-13(2)31-17)18(7-14)32-20-11-24-16(9-26-20)22(30)28(3)4/h5-11H,1-4H3,(H,25,27,29)
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n/an/an/an/a 212n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394682
PNG
(CHEMBL2165619)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
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n/an/an/an/a 153n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50394693
PNG
(CHEMBL2165621)
Show SMILES OC(=O)c1cccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-22-14)13(8-11-4-1-2-5-11)16(26)24-15-7-3-6-12(23-15)17(27)28/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,27,28)(H,23,24,26)/t13-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair